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SCHEMBL29757690

SCHEMBL29757690

CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.47
▸ MAPK9 P45984 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ VIPR1 P32241 2/20 0.44
▸ CXCR4 P61073 1/20 0.43
▸ OPRL1 P41146 3/20 0.43
▸ ECE1 P42892 1/20 0.43
▸ GLP1R P43220 1/20 0.43
▸ MUS81 Q96NY9 1/20 0.43
▸ VIPR2 P41587 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30774306 0.93 OPRL1 (0.43) MAPK8MAPK9MAPK10OPRL1ECE1
SCHEMBL29374718 0.89 TFPI (0.44) CXCR4
SCHEMBL31236827 0.86 IL23R (0.42) MAPK8MAPK9MAPK10CXCR4
SCHEMBL30006921 0.86 OPRL1 (0.49) CXCR4OPRL1
SCHEMBL31688348 0.86 VIPR1 (0.45) MAPK8MAPK9MAPK10VIPR1ECE1
SCHEMBL30880884 0.85 VIPR1 (0.46) MAPK8MAPK9MAPK10VIPR1ECE1
SCHEMBL31688351 0.85 GLP1R (0.43) VIPR1ECE1GLP1RMUS81VIPR2
SCHEMBL29375236 0.84 TFPI (0.43) —
SCHEMBL30293065 0.83 ENPEP (0.45) OPRL1
SCHEMBL29940601 0.83 IL23R (0.46) CXCR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324950-A1 IMMUNE CHECKPOINT INHIBITOR, THERAPEUTIC AGENT FOR IMMUNE CHECKPOINT-RELATED DISEASE, IMMUNOSUPPRESSANT, ANTI-FIBRONECTIN ANTIBODY OR DERIVATIVE THEREOF, FIBRONECTIN ANALOG, KIT FOR DETECTING FIBRONECTIN OR PARTIAL PROTEIN THEREOF, AND METHOD FOR DETECTING FIBRONECTIN OR PARTIAL PROTEIN THEREOF TOHOKU TECHNO ARCH CO., LTD. (JP) 2022-10-13 — — US disclosed
EP-4014994-A1 IMMUNE CHECKPOINT INHIBITOR, THERAPEUTIC AGENT FOR IMMUNE CHECKPOINT-RELATED DISEASE, IMMUNOSUPPRESSANT, ANTI-FIBRONECTIN ANTIBODY OR DERIVATIVE THEREOF, FIBRONECTIN ANALOG, KIT FOR DETECTING FIBRONECTIN OR PARTIAL PROTEIN THEREOF, AND METHOD FOR DETECTING FIBRONECTIN OR PARTIAL PROTEIN THEREOF Tohoku University (JP) 2022-06-22 — — EP disclosed
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